Isobutyl Decanoate - ≥97% , CAS No.30673-38-2

CAS: 30673-38-2 Cat. No.: I157446 Formula: C₁₄H₂₈O₂ Peso molecolare: 228.38 Numero EC: 250-281-0

GRADE & PURITY ≥97%

Synonyms

Isobutyl decanoate | Decanoic acid, 2-methylpropyl ester | D0021 | isobutyl caprate | MFCD00059259 | AXTPGRJJIGEOOY-UHFFFAOYSA-N | Decanoic Acid Isobutyl Ester | EINECS 250-281-0 | n-Capric acid isobutyl ester | CHEBI:87570 | Decanoic acid, isobutyl ester

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Isobutyl decanoate | Decanoic acid, 2-methylpropyl ester | D0021 | isobutyl caprate | MFCD00059259 | AXTPGRJJIGEOOY-UHFFFAOYSA-N | Decanoic Acid Isobutyl Ester | EINECS 250-281-0 | n-Capric acid isobutyl ester | CHEBI:87570 | Decanoic acid, isobutyl ester

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488187662

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187662

Sorrisi canonici

CCCCCCCCCC(=O)OCC(C)C

IUPAC Name

2-methylpropyl decanoate

InChIKey

AXTPGRJJIGEOOY-UHFFFAOYSA-N

INCHI

1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3

Isomeri SMILES

CCCCCCCCCC(=O)OCC(C)C

Peso molecolare

228.38

Reaxy-Rn

8320376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8320376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: fatty acid ester

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 115 °C
• Peso molecolare: 228.370 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.209 Da
• Monoisotopic Mass: 228.209 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 30673-38-2, the molecular formula is C14H28O2, and the molecular weight is 228.38 g/mol. InChIKey AXTPGRJJIGEOOY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.